General Information of the Compound
Compound ID
CP0481045
Compound Name
7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
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Structure
Formula
C13H8FN5
Molecular Weight
253.24
Canonical SMILES
Nc1cc(nc2c(cnn12)C#N)-c1ccc(F)cc1
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InChI
InChI=1S/C13H8FN5/c14-10-3-1-8(2-4-10)11-5-12(16)19-13(18-11)9(6-15)7-17-19/h1-5,7H,16H2
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InChIKey
MSGQJJJSDMXGKE-UHFFFAOYSA-N
Physicochemical Property
logP
1.98928
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
80
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
19

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 70686472
ChEMBL ID
CHEMBL2062558
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01210, Casein kinase II subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 430 nM
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